| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
198 |
54 |
14647 |
◊ |
E |
x,y,z |
1_555 |
193 |
55 |
13930 |
1917.1 |
-18.3 |
0.423 |
49 |
16 |
0 |
0.718 |
2 |
|
B |
202 |
54 |
14825 |
◊ |
A |
x,y,z |
1_555 |
194 |
53 |
14650 |
1915.9 |
-17.7 |
0.357 |
45 |
14 |
0 |
0.718 |
3 |
|
D |
192 |
56 |
14845 |
◊ |
C |
x,y,z |
1_555 |
197 |
55 |
14738 |
1911.6 |
-17.5 |
0.445 |
51 |
15 |
0 |
0.718 |
4 |
|
H |
183 |
53 |
14262 |
◊ |
G |
x,y,z |
1_555 |
182 |
51 |
14382 |
1819.1 |
-21.6 |
0.290 |
43 |
9 |
0 |
0.718 |
| Average: |
1890.9 |
-18.8 |
0.379 |
47 |
14 |
0 |
0.718 |
| 2 |
5 |
|
D |
125 |
41 |
14845 |
◊ |
B |
x,y,z |
1_555 |
130 |
39 |
14825 |
1317.7 |
-21.7 |
0.034 |
16 |
0 |
0 |
0.527 |
6 |
|
C |
132 |
39 |
14738 |
◊ |
A |
x,y,z |
1_555 |
130 |
41 |
14650 |
1317.2 |
-22.6 |
0.053 |
15 |
0 |
0 |
0.527 |
7 |
|
H |
128 |
41 |
14262 |
◊ |
F |
x,y,z |
1_555 |
125 |
40 |
14647 |
1312.2 |
-23.7 |
0.024 |
15 |
0 |
0 |
0.527 |
8 |
|
G |
133 |
42 |
14382 |
◊ |
E |
x,y,z |
1_555 |
128 |
40 |
13930 |
1308.5 |
-25.3 |
0.034 |
17 |
0 |
0 |
0.527 |
| Average: |
1313.9 |
-23.3 |
0.036 |
16 |
0 |
0 |
0.527 |
| 3 |
9 |
|
F |
77 |
23 |
14647 |
◊ |
B |
-x+1,y,-z |
2_655 |
75 |
23 |
14825 |
664.8 |
-0.8 |
0.783 |
4 |
4 |
0 |
0.000 |
| 4 |
10 |
|
[NAD]D:401 |
41 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
81 |
31 |
14845 |
528.6 |
-5.1 |
0.537 |
6 |
0 |
0 |
0.282 |
11 |
|
[NAD]F:401 |
39 |
1 |
828 |
f |
F |
x,y,z |
1_555 |
83 |
34 |
14647 |
528.5 |
-5.3 |
0.533 |
7 |
0 |
0 |
0.282 |
12 |
|
[NAD]B:401 |
42 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
80 |
33 |
14825 |
527.5 |
-5.1 |
0.522 |
6 |
0 |
0 |
0.282 |
13 |
|
[NAD]A:401 |
40 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
76 |
33 |
14650 |
522.6 |
-5.2 |
0.517 |
7 |
0 |
0 |
0.282 |
14 |
|
[NAD]G:401 |
42 |
1 |
818 |
f |
G |
x,y,z |
1_555 |
68 |
30 |
14382 |
517.9 |
-5.1 |
0.565 |
7 |
0 |
0 |
0.282 |
15 |
|
[NAD]H:401 |
39 |
1 |
821 |
f |
H |
x,y,z |
1_555 |
70 |
29 |
14262 |
517.6 |
-5.1 |
0.555 |
7 |
0 |
0 |
0.282 |
16 |
|
[NAD]C:401 |
39 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
73 |
33 |
14738 |
509.1 |
-5.2 |
0.574 |
6 |
0 |
0 |
0.282 |
17 |
|
[NAD]E:401 |
40 |
1 |
819 |
f |
E |
x,y,z |
1_555 |
64 |
27 |
13930 |
490.6 |
-5.0 |
0.610 |
5 |
0 |
0 |
0.282 |
| Average: |
517.8 |
-5.2 |
0.552 |
6 |
0 |
0 |
0.282 |
| 5 |
18 |
|
C |
57 |
19 |
14738 |
◊ |
B |
x,y,z |
1_555 |
55 |
16 |
14825 |
494.2 |
-0.6 |
0.801 |
7 |
2 |
0 |
0.036 |
19 |
|
H |
53 |
16 |
14262 |
◊ |
E |
x,y,z |
1_555 |
55 |
18 |
13930 |
455.8 |
-2.7 |
0.715 |
4 |
1 |
0 |
0.036 |
20 |
|
D |
53 |
15 |
14845 |
◊ |
A |
x,y,z |
1_555 |
51 |
17 |
14650 |
448.9 |
-2.3 |
0.611 |
5 |
1 |
0 |
0.036 |
21 |
|
G |
52 |
14 |
14382 |
◊ |
F |
x,y,z |
1_555 |
56 |
18 |
14647 |
443.0 |
-1.7 |
0.678 |
4 |
1 |
0 |
0.036 |
| Average: |
460.5 |
-1.8 |
0.701 |
5 |
1 |
0 |
0.036 |
| 6 |
22 |
|
D |
50 |
13 |
14845 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
51 |
15 |
14647 |
457.0 |
-3.8 |
0.456 |
4 |
0 |
0 |
0.000 |
23 |
|
B |
46 |
15 |
14825 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
52 |
14 |
14650 |
453.5 |
-3.4 |
0.508 |
5 |
2 |
0 |
0.000 |
| Average: |
455.2 |
-3.6 |
0.482 |
5 |
1 |
0 |
0.000 |
| 7 |
24 |
|
H |
26 |
11 |
14262 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
14650 |
218.8 |
1.0 |
0.770 |
3 |
3 |
0 |
0.000 |
| 8 |
25 |
|
A |
23 |
7 |
14650 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
28 |
6 |
14647 |
213.1 |
-2.0 |
0.494 |
2 |
2 |
0 |
0.000 |
| 9 |
26 |
|
H |
23 |
9 |
14262 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
23 |
9 |
14262 |
203.5 |
-2.3 |
0.475 |
2 |
0 |
0 |
0.000 |
| 10 |
27 |
|
E |
26 |
11 |
13930 |
◊ |
D |
x,y,z |
1_555 |
17 |
3 |
14845 |
194.4 |
-1.0 |
0.561 |
3 |
3 |
0 |
0.000 |
| 11 |
28 |
|
E |
10 |
3 |
13930 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
4_646 |
13 |
6 |
14382 |
115.2 |
-1.1 |
0.393 |
1 |
0 |
0 |
0.000 |
| 12 |
29 |
|
E |
9 |
4 |
13930 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
10 |
5 |
13930 |
94.8 |
-2.0 |
0.269 |
0 |
0 |
0 |
0.000 |
| 13 |
30 |
|
G |
13 |
4 |
14382 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
14262 |
77.7 |
-1.2 |
0.230 |
0 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[NAD]E:401 |
6 |
1 |
819 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
14382 |
66.1 |
-4.0 |
0.151 |
0 |
0 |
0 |
0.118 |
32 |
|
[NAD]B:401 |
8 |
1 |
826 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
14845 |
64.7 |
-3.8 |
0.182 |
0 |
0 |
0 |
0.118 |
33 |
|
[NAD]D:401 |
8 |
1 |
826 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14825 |
62.0 |
-3.8 |
0.180 |
0 |
0 |
0 |
0.118 |
34 |
|
[NAD]A:401 |
8 |
1 |
828 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
14738 |
61.1 |
-3.6 |
0.206 |
0 |
0 |
0 |
0.118 |
35 |
|
[NAD]C:401 |
7 |
1 |
820 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14650 |
59.4 |
-3.6 |
0.195 |
0 |
0 |
0 |
0.118 |
36 |
|
[NAD]F:401 |
7 |
1 |
828 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
14262 |
58.2 |
-3.4 |
0.208 |
0 |
0 |
0 |
0.118 |
37 |
|
[NAD]H:401 |
7 |
1 |
821 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
14647 |
58.2 |
-3.5 |
0.186 |
0 |
0 |
0 |
0.118 |
38 |
|
[NAD]G:401 |
6 |
1 |
818 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
13930 |
55.4 |
-3.4 |
0.205 |
0 |
0 |
0 |
0.118 |
| Average: |
60.6 |
-3.6 |
0.189 |
0 |
0 |
0 |
0.118 |
| 15 |
39 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14845 |
52.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.156 |
40 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14825 |
52.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.156 |
41 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
13930 |
52.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.156 |
42 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14650 |
51.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.156 |
43 |
|
[CL]F:402 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
14647 |
51.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.156 |
44 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
14738 |
50.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
51.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.156 |
| 16 |
45 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
14845 |
51.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.202 |
46 |
|
[CL]F:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
13930 |
50.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.202 |
47 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14825 |
50.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.202 |
48 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14650 |
50.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.202 |
49 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
14647 |
50.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.202 |
50 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
14738 |
49.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.202 |
| Average: |
50.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.202 |
| 17 |
51 |
|
G |
3 |
3 |
14382 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
14845 |
45.4 |
-0.8 |
0.346 |
0 |
0 |
0 |
0.000 |
| 18 |
52 |
|
G |
5 |
2 |
14382 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
9 |
3 |
14738 |
44.6 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 19 |
53 |
|
H |
5 |
2 |
14262 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
14650 |
39.0 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| 20 |
54 |
|
C |
1 |
1 |
14738 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
13930 |
10.5 |
-0.3 |
0.203 |
0 |
0 |
0 |
0.000 |
| 21 |
55 |
|
B |
1 |
1 |
14825 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
14825 |
9.5 |
-0.3 |
0.268 |
0 |
0 |
0 |
0.000 |
|